S367-0496 Screening compound: N-(4-fluorophenyl)-5-{[methyl(phenyl)carbamoyl]methyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

S367-0496 Screening compound: N-(4-fluorophenyl)-5-{[methyl(phenyl)carbamoyl]methyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
S367-0496 Screening compound: N-(4-fluorophenyl)-5-{[methyl(phenyl)carbamoyl]methyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S367-0496
N-(4-fluorophenyl)-5-{[methyl(phenyl)carbamoyl]methyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S367-0496

Molecular Formula

C23H22FN5O3 (C23 H22 FN5 O3)

Compound Name

N-(4-fluorophenyl)-5-{[methyl(phenyl)carbamoyl]methyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

IUPAC name

N-(4-fluorophenyl)-5-{[methyl(phenyl)carbamoyl]methyl}-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-2-carboxamide

SMILES

CN(C(CN(CCCn(c1c2)nc2C(Nc(cc2)ccc2F)=O)C1=O)=O)c1ccccc1

InChI

InChI=1S/C23H22FN5O3/c1-27(18-6-3-2-4-7-18)21(30)15-28-12-5-13-29-20(23(28)32)14-19(26-29)22(31)25-17-10-8-16(24)9-11-17/h2-4,6-11,14H,5,12-13,15H2,1H3,(H,25,31)

InChI Key

MAPCRDNQLGDFLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.701

Distribution Coefficient, logD

1.694

Water Solubility, LogSw

-2.46

Polar Surface Area

68.586

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

S367-0496 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S367-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S367-0496?
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What is the minimum amount of S367-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S367-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S367-0496
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S367-0496 available by request